Natural Product: NPC95165

Natural Product ID:  NPC95165
Common Name:   1-Beta-Hydroxy-6,7R-Dihydroxyeudesm-4(15)-Ene
IUPAC Name:   (1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,5-triol
Synonyms:  
Molecular Formula:   C15H26O3
Standard InCHIKey:  CUHWMIOLJCBKOH-ARILJUKYSA-N
Standard InCHI:  InChI=1S/C15H26O3/c1-9(2)15(18)8-7-14(4)11(16)6-5-10(3)12(14)13(15)17/h9,11-13,16-18H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15-/m1/s1
Canonical SMILES:  C=C1CC[C@H]([C@]2([C@H]1[C@@H](O)[C@@](O)(CC2)C(C)C)C)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO20204 Tephrosia candida Species Fabaceae Eukaryota aerial parts Limbe (South West) Province, Cameroon 2007-APR PMID[21510635]
NPO20204 Tephrosia candida Species Fabaceae Eukaryota Aerial parts PMID[21510635]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Inhibition = 67.3 % 21510635
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens IC50 = 2800000 nM 21510635

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC95165 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9403 High Similarity NPC244790
0.9254 High Similarity NPC269077
0.9254 High Similarity NPC253303
0.8971 High Similarity NPC185874
0.8971 High Similarity NPC139207
0.8955 High Similarity NPC2728
0.8955 High Similarity NPC208198
0.8955 High Similarity NPC282619
0.8955 High Similarity NPC11555
0.8955 High Similarity NPC60837
0.8955 High Similarity NPC172613
0.8841 High Similarity NPC245795
0.8806 High Similarity NPC144650
0.8806 High Similarity NPC101128
0.8592 High Similarity NPC283316
0.8571 High Similarity NPC276616
0.8553 High Similarity NPC287749
0.8551 High Similarity NPC473929
0.8533 High Similarity NPC52755
0.8514 High Similarity NPC63958
0.8472 Intermediate Similarity NPC242992
0.8462 Intermediate Similarity NPC216420
0.8462 Intermediate Similarity NPC85095
0.8462 Intermediate Similarity NPC211135
0.8451 Intermediate Similarity NPC234511
0.8406 Intermediate Similarity NPC258595
0.84 Intermediate Similarity NPC130136
0.8375 Intermediate Similarity NPC121981
0.8354 Intermediate Similarity NPC255882
0.8333 Intermediate Similarity NPC92801
0.831 Intermediate Similarity NPC266578
0.8267 Intermediate Similarity NPC91573
0.8261 Intermediate Similarity NPC68656
0.8243 Intermediate Similarity NPC472503
0.8243 Intermediate Similarity NPC308440
0.8219 Intermediate Similarity NPC167706
0.8219 Intermediate Similarity NPC164022
0.8158 Intermediate Similarity NPC471798
0.8148 Intermediate Similarity NPC237344
0.8148 Intermediate Similarity NPC94462
0.8133 Intermediate Similarity NPC3403
0.8133 Intermediate Similarity NPC477923
0.8133 Intermediate Similarity NPC66566
0.8077 Intermediate Similarity NPC71535
0.8077 Intermediate Similarity NPC78545
0.8077 Intermediate Similarity NPC47149
0.806 Intermediate Similarity NPC189290
0.806 Intermediate Similarity NPC474769
0.8052 Intermediate Similarity NPC477817
0.8052 Intermediate Similarity NPC31828
0.8052 Intermediate Similarity NPC102708
0.8052 Intermediate Similarity NPC477819
0.8028 Intermediate Similarity NPC475897
0.8026 Intermediate Similarity NPC470766
0.8026 Intermediate Similarity NPC274079
0.8026 Intermediate Similarity NPC477925
0.8 Intermediate Similarity NPC207013
0.8 Intermediate Similarity NPC232023
0.8 Intermediate Similarity NPC94897
0.7975 Intermediate Similarity NPC474531
0.7975 Intermediate Similarity NPC471270
0.7975 Intermediate Similarity NPC476646
0.7952 Intermediate Similarity NPC474668
0.7952 Intermediate Similarity NPC133588
0.7952 Intermediate Similarity NPC473436
0.7949 Intermediate Similarity NPC72755
0.7949 Intermediate Similarity NPC472463
0.7949 Intermediate Similarity NPC476367
0.7949 Intermediate Similarity NPC24504
0.7945 Intermediate Similarity NPC470833
0.7945 Intermediate Similarity NPC9942
0.7945 Intermediate Similarity NPC210323
0.7922 Intermediate Similarity NPC202540
0.7922 Intermediate Similarity NPC477924
0.7901 Intermediate Similarity NPC238992
0.7895 Intermediate Similarity NPC291503
0.7895 Intermediate Similarity NPC32832
0.7887 Intermediate Similarity NPC300442
0.7875 Intermediate Similarity NPC7988
0.7867 Intermediate Similarity NPC211009
0.7857 Intermediate Similarity NPC470361
0.7857 Intermediate Similarity NPC105495
0.7848 Intermediate Similarity NPC236112
0.7848 Intermediate Similarity NPC95124
0.7848 Intermediate Similarity NPC471266
0.7848 Intermediate Similarity NPC236707
0.7848 Intermediate Similarity NPC475679
0.7848 Intermediate Similarity NPC96362
0.7848 Intermediate Similarity NPC13554
0.7838 Intermediate Similarity NPC45296
0.7831 Intermediate Similarity NPC476948
0.7831 Intermediate Similarity NPC189777
0.7831 Intermediate Similarity NPC477600
0.7821 Intermediate Similarity NPC475
0.7821 Intermediate Similarity NPC472502
0.7821 Intermediate Similarity NPC472500
0.7821 Intermediate Similarity NPC301707
0.7821 Intermediate Similarity NPC472499
0.7808 Intermediate Similarity NPC2648
0.7805 Intermediate Similarity NPC290731
0.7794 Intermediate Similarity NPC47663
0.7792 Intermediate Similarity NPC86305
0.7792 Intermediate Similarity NPC14112
0.7792 Intermediate Similarity NPC265588
0.7778 Intermediate Similarity NPC185605
0.7778 Intermediate Similarity NPC470929
0.7778 Intermediate Similarity NPC159168
0.7778 Intermediate Similarity NPC477978
0.7778 Intermediate Similarity NPC253402
0.7765 Intermediate Similarity NPC80561
0.7765 Intermediate Similarity NPC204188
0.7765 Intermediate Similarity NPC329596
0.7765 Intermediate Similarity NPC11216
0.7765 Intermediate Similarity NPC3345
0.7765 Intermediate Similarity NPC475751
0.7765 Intermediate Similarity NPC291484
0.7765 Intermediate Similarity NPC473956
0.7763 Intermediate Similarity NPC306727
0.7763 Intermediate Similarity NPC477138
0.7763 Intermediate Similarity NPC201048
0.7763 Intermediate Similarity NPC476366
0.7763 Intermediate Similarity NPC243342
0.7761 Intermediate Similarity NPC264779
0.7746 Intermediate Similarity NPC219940
0.7738 Intermediate Similarity NPC475664
0.7733 Intermediate Similarity NPC471268
0.7733 Intermediate Similarity NPC23954
0.7733 Intermediate Similarity NPC301226
0.7733 Intermediate Similarity NPC471271
0.7733 Intermediate Similarity NPC111234
0.7722 Intermediate Similarity NPC291379
0.7722 Intermediate Similarity NPC475727
0.7722 Intermediate Similarity NPC116119
0.7722 Intermediate Similarity NPC273410
0.7722 Intermediate Similarity NPC476316
0.7722 Intermediate Similarity NPC328714
0.7722 Intermediate Similarity NPC80297
0.7722 Intermediate Similarity NPC80530
0.7722 Intermediate Similarity NPC472742
0.7711 Intermediate Similarity NPC71520
0.7711 Intermediate Similarity NPC476217
0.7711 Intermediate Similarity NPC255143
0.7711 Intermediate Similarity NPC145245
0.7711 Intermediate Similarity NPC269058
0.7692 Intermediate Similarity NPC138502
0.7692 Intermediate Similarity NPC470758
0.7692 Intermediate Similarity NPC470711
0.7683 Intermediate Similarity NPC474493
0.7683 Intermediate Similarity NPC242016
0.7683 Intermediate Similarity NPC86238
0.7683 Intermediate Similarity NPC83702
0.7683 Intermediate Similarity NPC124172
0.7683 Intermediate Similarity NPC256567
0.7683 Intermediate Similarity NPC130966
0.7674 Intermediate Similarity NPC219516
0.7674 Intermediate Similarity NPC41554
0.7674 Intermediate Similarity NPC97404
0.7671 Intermediate Similarity NPC117607
0.7671 Intermediate Similarity NPC88454
0.7671 Intermediate Similarity NPC101307
0.7662 Intermediate Similarity NPC70982
0.7662 Intermediate Similarity NPC178383
0.7662 Intermediate Similarity NPC231256
0.7662 Intermediate Similarity NPC144075
0.7662 Intermediate Similarity NPC185536
0.7662 Intermediate Similarity NPC103822
0.7662 Intermediate Similarity NPC230704
0.7662 Intermediate Similarity NPC212879
0.7662 Intermediate Similarity NPC240235
0.7662 Intermediate Similarity NPC104387
0.7654 Intermediate Similarity NPC248886
0.7654 Intermediate Similarity NPC30166
0.7654 Intermediate Similarity NPC47763
0.7654 Intermediate Similarity NPC477599
0.7647 Intermediate Similarity NPC109744
0.7647 Intermediate Similarity NPC259875
0.7647 Intermediate Similarity NPC236588
0.7647 Intermediate Similarity NPC187785
0.7639 Intermediate Similarity NPC471200
0.7639 Intermediate Similarity NPC64123
0.7632 Intermediate Similarity NPC220939
0.7632 Intermediate Similarity NPC265485
0.7632 Intermediate Similarity NPC471799
0.7632 Intermediate Similarity NPC182717
0.7632 Intermediate Similarity NPC68443
0.7625 Intermediate Similarity NPC22403
0.7625 Intermediate Similarity NPC236237
0.7625 Intermediate Similarity NPC102253
0.7625 Intermediate Similarity NPC322313
0.7619 Intermediate Similarity NPC186145
0.7619 Intermediate Similarity NPC474657
0.7612 Intermediate Similarity NPC84824
0.7612 Intermediate Similarity NPC67508
0.7595 Intermediate Similarity NPC22955
0.7595 Intermediate Similarity NPC470396
0.7595 Intermediate Similarity NPC137587
0.7595 Intermediate Similarity NPC285761
0.7595 Intermediate Similarity NPC83351
0.7595 Intermediate Similarity NPC87604
0.7595 Intermediate Similarity NPC167037

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC95165 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7625 Intermediate Similarity NPD7525 Registered
0.7342 Intermediate Similarity NPD6933 Approved
0.7342 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD7645 Phase 2
0.726 Intermediate Similarity NPD371 Approved
0.7215 Intermediate Similarity NPD6942 Approved
0.7215 Intermediate Similarity NPD7339 Approved
0.7089 Intermediate Similarity NPD6924 Approved
0.7089 Intermediate Similarity NPD6926 Approved
0.7013 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD7524 Approved
0.6988 Remote Similarity NPD6930 Phase 2
0.6988 Remote Similarity NPD6931 Approved
0.6988 Remote Similarity NPD7509 Discontinued
0.6867 Remote Similarity NPD6929 Approved
0.686 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6932 Approved
0.6824 Remote Similarity NPD3667 Approved
0.6786 Remote Similarity NPD4748 Discontinued
0.6782 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6744 Remote Similarity NPD6695 Phase 3
0.6705 Remote Similarity NPD3618 Phase 1
0.6667 Remote Similarity NPD6683 Phase 2
0.6667 Remote Similarity NPD4786 Approved
0.663 Remote Similarity NPD4202 Approved
0.6627 Remote Similarity NPD6925 Approved
0.6627 Remote Similarity NPD5776 Phase 2
0.6625 Remote Similarity NPD7151 Approved
0.6625 Remote Similarity NPD7152 Approved
0.6625 Remote Similarity NPD7150 Approved
0.6591 Remote Similarity NPD6893 Approved
0.6588 Remote Similarity NPD7514 Phase 3
0.6588 Remote Similarity NPD7332 Phase 2
0.6585 Remote Similarity NPD8264 Approved
0.6582 Remote Similarity NPD6922 Approved
0.6582 Remote Similarity NPD6923 Approved
0.6548 Remote Similarity NPD7145 Approved
0.6533 Remote Similarity NPD368 Approved
0.6512 Remote Similarity NPD6898 Phase 1
0.65 Remote Similarity NPD7144 Approved
0.65 Remote Similarity NPD7143 Approved
0.6484 Remote Similarity NPD5328 Approved
0.6463 Remote Similarity NPD4785 Approved
0.6463 Remote Similarity NPD4784 Approved
0.6444 Remote Similarity NPD7750 Discontinued
0.642 Remote Similarity NPD4243 Approved
0.6418 Remote Similarity NPD385 Approved
0.6418 Remote Similarity NPD384 Approved
0.6386 Remote Similarity NPD3703 Phase 2
0.6364 Remote Similarity NPD4788 Approved
0.6354 Remote Similarity NPD4755 Approved
0.6353 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6344 Remote Similarity NPD8035 Phase 2
0.6344 Remote Similarity NPD6079 Approved
0.6344 Remote Similarity NPD7515 Phase 2
0.6344 Remote Similarity NPD8034 Phase 2
0.6327 Remote Similarity NPD4159 Approved
0.6322 Remote Similarity NPD6902 Approved
0.6311 Remote Similarity NPD4634 Approved
0.6296 Remote Similarity NPD4787 Phase 1
0.6292 Remote Similarity NPD3666 Approved
0.6292 Remote Similarity NPD3133 Approved
0.6292 Remote Similarity NPD3665 Phase 1
0.6289 Remote Similarity NPD7638 Approved
0.6289 Remote Similarity NPD4225 Approved
0.6275 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6269 Remote Similarity NPD388 Approved
0.6269 Remote Similarity NPD386 Approved
0.6237 Remote Similarity NPD3168 Discontinued
0.6224 Remote Similarity NPD5286 Approved
0.6224 Remote Similarity NPD5285 Approved
0.6224 Remote Similarity NPD4700 Approved
0.6224 Remote Similarity NPD7639 Approved
0.6224 Remote Similarity NPD4696 Approved
0.6224 Remote Similarity NPD7640 Approved
0.6214 Remote Similarity NPD4061 Clinical (unspecified phase)
0.619 Remote Similarity NPD4190 Phase 3
0.619 Remote Similarity NPD5275 Approved
0.6184 Remote Similarity NPD1145 Discontinued
0.6173 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6173 Remote Similarity NPD3700 Clinical (unspecified phase)
0.617 Remote Similarity NPD7087 Discontinued
0.6163 Remote Similarity NPD6114 Approved
0.6163 Remote Similarity NPD6697 Approved
0.6163 Remote Similarity NPD6115 Approved
0.6163 Remote Similarity NPD6118 Approved
0.6162 Remote Similarity NPD5223 Approved
0.6162 Remote Similarity NPD5344 Discontinued
0.6132 Remote Similarity NPD4632 Approved
0.6111 Remote Similarity NPD3668 Phase 3
0.6105 Remote Similarity NPD6399 Phase 3
0.61 Remote Similarity NPD5225 Approved
0.61 Remote Similarity NPD5226 Approved
0.61 Remote Similarity NPD5224 Approved
0.61 Remote Similarity NPD4633 Approved
0.61 Remote Similarity NPD5211 Phase 2
0.6092 Remote Similarity NPD4195 Approved
0.6082 Remote Similarity NPD5222 Approved
0.6082 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6082 Remote Similarity NPD4697 Phase 3
0.6082 Remote Similarity NPD5221 Approved
0.6071 Remote Similarity NPD1810 Approved
0.6071 Remote Similarity NPD1811 Approved
0.6058 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6047 Remote Similarity NPD6116 Phase 1
0.6042 Remote Similarity NPD7748 Approved
0.604 Remote Similarity NPD4754 Approved
0.604 Remote Similarity NPD5174 Approved
0.604 Remote Similarity NPD5175 Approved
0.6024 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6024 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6023 Remote Similarity NPD6928 Phase 2
0.602 Remote Similarity NPD5173 Approved
0.602 Remote Similarity NPD7902 Approved
0.6 Remote Similarity NPD7516 Approved
0.5981 Remote Similarity NPD8133 Approved
0.598 Remote Similarity NPD5141 Approved
0.596 Remote Similarity NPD5290 Discontinued
0.5957 Remote Similarity NPD4753 Phase 2
0.593 Remote Similarity NPD6117 Approved
0.5922 Remote Similarity NPD5739 Approved
0.5922 Remote Similarity NPD6675 Approved
0.5922 Remote Similarity NPD4767 Approved
0.5922 Remote Similarity NPD4768 Approved
0.5922 Remote Similarity NPD7128 Approved
0.5922 Remote Similarity NPD6402 Approved
0.5909 Remote Similarity NPD7328 Approved
0.5909 Remote Similarity NPD7327 Approved
0.5893 Remote Similarity NPD8033 Approved
0.5889 Remote Similarity NPD4221 Approved
0.5889 Remote Similarity NPD4223 Phase 3
0.5882 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5875 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5865 Remote Similarity NPD5701 Approved
0.5865 Remote Similarity NPD6412 Phase 2
0.5865 Remote Similarity NPD5697 Approved
0.5849 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5843 Remote Similarity NPD4695 Discontinued
0.5818 Remote Similarity NPD6009 Approved
0.581 Remote Similarity NPD6011 Approved
0.581 Remote Similarity NPD5128 Approved
0.581 Remote Similarity NPD7320 Approved
0.581 Remote Similarity NPD6881 Approved
0.581 Remote Similarity NPD4730 Approved
0.581 Remote Similarity NPD6899 Approved
0.581 Remote Similarity NPD4729 Approved
0.5806 Remote Similarity NPD5279 Phase 3
0.5806 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5804 Remote Similarity NPD8294 Approved
0.5804 Remote Similarity NPD6319 Approved
0.5804 Remote Similarity NPD8377 Approved
0.5784 Remote Similarity NPD7632 Discontinued
0.5783 Remote Similarity NPD3698 Phase 2
0.5769 Remote Similarity NPD6008 Approved
0.5765 Remote Similarity NPD4732 Discontinued
0.5761 Remote Similarity NPD4197 Approved
0.5755 Remote Similarity NPD6014 Approved
0.5755 Remote Similarity NPD6012 Approved
0.5755 Remote Similarity NPD6373 Approved
0.5755 Remote Similarity NPD6013 Approved
0.5755 Remote Similarity NPD6372 Approved
0.5752 Remote Similarity NPD8296 Approved
0.5752 Remote Similarity NPD8378 Approved
0.5752 Remote Similarity NPD8379 Approved
0.5752 Remote Similarity NPD8335 Approved
0.5752 Remote Similarity NPD8380 Approved
0.5743 Remote Similarity NPD6648 Approved
0.5741 Remote Similarity NPD8297 Approved
0.5733 Remote Similarity NPD342 Phase 1
0.5729 Remote Similarity NPD7136 Phase 2
0.5714 Remote Similarity NPD4245 Approved
0.5714 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7900 Approved
0.5714 Remote Similarity NPD4244 Approved
0.5701 Remote Similarity NPD6883 Approved
0.5701 Remote Similarity NPD5135 Approved
0.5701 Remote Similarity NPD5250 Approved
0.5701 Remote Similarity NPD5251 Approved
0.5701 Remote Similarity NPD5248 Approved
0.5701 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5701 Remote Similarity NPD5249 Phase 3
0.5701 Remote Similarity NPD7290 Approved
0.5701 Remote Similarity NPD5169 Approved
0.5701 Remote Similarity NPD7102 Approved
0.5701 Remote Similarity NPD5247 Approved
0.5699 Remote Similarity NPD1696 Phase 3
0.5699 Remote Similarity NPD5329 Approved
0.5676 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5676 Remote Similarity NPD7115 Discovery
0.567 Remote Similarity NPD7637 Suspended
0.5664 Remote Similarity NPD6059 Approved
0.5664 Remote Similarity NPD6054 Approved
0.5663 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5663 Remote Similarity NPD5360 Phase 3
0.566 Remote Similarity NPD6686 Approved
0.5657 Remote Similarity NPD4629 Approved
0.5657 Remote Similarity NPD5210 Approved
0.5648 Remote Similarity NPD6869 Approved

Structure

External Identifiers

PubChem CID   53262781
ChEMBL   CHEMBL1784261
ZINC  

Physicochemical Properties

Molecular Weight:  254.19
ALogP:  -0.4481
MLogP:  2.78
XLogP:  1.511
# Rotatable Bonds:  7
Polar Surface Area:  60.69
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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